but-2-ynedioic acid; N-[2-(dimethylamino)-5aH-cyclohepta[b][1]benzofuran-9-yl]pyrimidine-4-carboxamide

Systemtic Name: but-2-ynedioic acid; N-[2-(dimethylamino)-5aH-cyclohepta[b][1]benzofuran-9-yl]pyrimidine-4-carboxamide Openeye Name: but-2-ynedioic acid; N-[2-(dimethylamino)-5aH-cyclohepta[b]benzofuran-9-yl]pyrimidine-4-carboxamide CAS Name: 2-butynedioic acid; N-[2-(dimethylamino)-5aH-cyclohepta[b]benzofuran-9-yl]-4-pyrimidinecarboxamide IUPAC Name: but-2-ynedioic acid; N-[2-(dimethylamino)-5aH-cyclohepta[b][1]benzofuran-9-yl]pyrimidine-4-carboxamide Traditional Name: but-2-ynedioic acid; N-[2-(dimethylamino)-5aH-cyclohepta[b]benzofuran-9-yl]pyrimidine-4-carboxamide Formula: C24H20N4O6 MolecularWeight: 460.4388

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC2=C(C=C1)OC3C2=CC(=CC=C3)NC(=O)C4=NC=NC=C4.C(#CC(=O)O)C(=O)O

Isomeric SMILES

CN(C)C1=CC2=C(C=C1)OC3C2=CC(=CC=C3)NC(=O)C4=NC=NC=C4.C(#CC(=O)O)C(=O)O

InChI

InChI=1S/C20H18N4O2.C4H2O4/c1-24(2)14-6-7-19-16(11-14)15-10-13(4-3-5-18(15)26-19)23-20(25)17-8-9-21-12-22-17;5-3(6)1-2-4(7)8/h3-12,18H,1-2H3,(H,23,25);(H,5,6)(H,7,8)